E641-0468 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea

E641-0468 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea
E641-0468 Screening compound: 3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E641-0468
3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E641-0468

Molecular Formula

C19H22BrN3O3 (C19 H22 BrN3 O3)

Compound Name

3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea

IUPAC name

3-(1-acetylpiperidin-4-yl)-1-(2-bromophenyl)-3-[(furan-2-yl)methyl]urea

SMILES

CC(N(CC1)CCC1N(Cc1ccco1)C(Nc(cccc1)c1Br)=O)=O

InChI

InChI=1S/C19H22BrN3O3/c1-14(24)22-10-8-15(9-11-22)23(13-16-5-4-12-26-16)19(25)21-18-7-3-2-6-17(18)20/h2-7,12,15H,8-11,13H2,1H3,(H,21,25)

InChI Key

ZZHLGNMEULOCHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.46

Polar Surface Area

48.490

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E641-0468 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E641-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E641-0468?
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What is the minimum amount of E641-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E641-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E641-0468
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E641-0468 available by request